5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile

C₁₂H₁₅BN₂O₂CAS 402718-29-0230.07 g/mol

Open in Covalent MOL file

Boronic ester Nitrile

Properties

Molecular formula: C₁₂H₁₅BN₂O₂
Molar mass: 230.07 g/mol
Exact mass: 230.1227 Da
logP: 1.25Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

402718-29-0

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C#N

InChIKey

BOIKCRIMIQAFQJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-5-9(6-14)7-15-8-10/h5,7-8H,1-4H3

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Names and synonyms

1 names

3-Cyanopyridine-5-boronic acid pinacol ester

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3-Cyanophenyl)boronic acid pinacol ester214360-46-062 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-259 % similar 3-Methoxypyridine-5-boronic acid pinacol ester445264-60-855 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine1084953-47-854 % similar Pyrimidine-5-boronic acid pinacol ester321724-19-053 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine329214-79-148 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-247 % similar Quinoline-3-boronic acid pinacolate171364-85-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Cyanopyridine-2-boronic acid pinacol ester1073353-83-9 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-62-6 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-7 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinecarbonitrile878194-92-4

Elsewhere

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